SCHEMBL7946352

SCHEMBL7946352

Cc1cccc(C)c1OCC1CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 4/20 0.55
ALOX5AP P20292 3/20 0.55
ACKR3 P25106 1/20 0.51
SCN9A Q15858 1/20 0.51
CHEK2 O96017 1/20 0.48
HTR6 P50406 6/20 0.47
BCHE P06276 4/20 0.47
KAT7 O95251 1/20 0.47
KAT8 Q9H7Z6 1/20 0.47
KDM1A O60341 1/20 0.46
PFKFB3 Q16875 1/20 0.45
USP30 Q70CQ3 1/20 0.45
IRAK1 P51617 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7946350 1.00 FEN1 (0.55) FEN1ALOX5APACKR3SCN9ACHEK2
SCHEMBL27158910 0.88 SCN9A (0.55) FEN1ALOX5APACKR3SCN9ACHEK2
SCHEMBL7946337 0.87 SCN9A (0.52) FEN1ALOX5APACKR3SCN9ACHEK2
SCHEMBL7946335 0.87 SCN9A (0.52) FEN1ALOX5APACKR3SCN9ACHEK2
SCHEMBL3323433 0.84 FEN1 (0.56) FEN1ALOX5APACKR3SCN9ACHEK2
SCHEMBL3323442 0.84 FEN1 (0.56) FEN1ALOX5APACKR3SCN9ACHEK2
SCHEMBL3443787 0.84 CHEK2 (0.56) FEN1ALOX5APACKR3SCN9ACHEK2
SCHEMBL3443784 0.84 CHEK2 (0.56) FEN1ALOX5APACKR3SCN9ACHEK2
SCHEMBL3326965 0.83 ALOX5AP (0.57) FEN1ALOX5APACKR3SCN9ACHEK2
SCHEMBL3326969 0.83 ALOX5AP (0.57) FEN1ALOX5APACKR3SCN9ACHEK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6262078-B1 Phenoxymethyl piperidine derivatives for the treatment of neuropathic pain SYNTEX (U.S.A.) LLC 2001-07-17 US disclosed
US-6110937-A A SODIUM CHANNEL BLOCKER TREATING AS LOCAL ANESTHETICS AND IN THE TREATMENT OF CARDIAC ARRHYTHMIAS SYNTEX USA, INC. (US) 2000-08-29 US disclosed
EP-0869119-A1 Phenoxymethyl piperidine derivatives being sodium channle blockers F. HOFFMANN-LA ROCHE AG (CH) 1998-10-07 EP disclosed